TL;DR: (2E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one (CAS 1598408-71-9) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Also Known As: (2E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one, (E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one, (E)-1-(2,6-DIMETHYLMORPHOLINO)-3-(4-NITROPHENYL)-2-PROPEN-1-ONE
| Molecular Formula | C15H18N2O4 |
| Molecular Weight | 290.12665 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.12665 Da |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
| SMILES | CC1CN(CC(O1)C)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XZAAEPTZJMPZTJ-VMPITWQZSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one is 1598408-71-9.
The molecular formula of (2E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one is C15H18N2O4.
The molecular weight of (2E)-1-(2,6-dimethylmorpholin-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one is 290.12665 g/mol.
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